SCHEMBL23958174

SCHEMBL23958174

CCc1ccc(Nc2nc3ccc(Br)cc3c(=O)n2-c2ccccc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ATM Q13315 2/20 0.44
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA6 Q16445 1/20 0.40
CCKBR P32239 2/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
GRM1 Q13255 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23958337 0.89 POLB (0.42) ALDH1A1L3MBTL1
SCHEMBL24110881 0.88 NPC1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24090127 0.80 POLB (0.42) MEN1KMT2AL3MBTL1
SCHEMBL23065099 0.78 NPC1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9953155 0.77 ATM (0.48) MAPTATMGABRA1GABRG2GABRB3
SCHEMBL24090104 0.75 USP2 (0.44) MAPTCCKBRHDAC1HDAC8HDAC6
SCHEMBL23958281 0.75 TDO2 (0.46) L3MBTL1
SCHEMBL24111005 0.74 NPC1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24089963 0.74 MAPT (0.43) MAPTHDAC1HDAC8HDAC6HDAC2
SCHEMBL29623296 0.74 MAPT (0.43) MAPTHDAC1HDAC8HDAC6HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021215537-A1 2-HETEROARYLAMINOQUINAZOLINONE DERIVATIVE 大日本住友製薬株式会社 (JP) 2021-10-28 WO disclosed